Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 705c4760eef009c58a165e8716adc8057257a566 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128324e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -1.421085471520200e-12 | PASS |
| Energy [step 20] | -3.184094654954597e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 9.606537787476555e-12 | PASS |
| Multipoles [step 0] | -1.208509458182377e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.011170043844486e-06 | PASS |
| Multipoles [step 20] | -2.020307213673485e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -2.928009470437587e-07 | PASS |